NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
33931 | 1j5n | 4869 | cing | 2-parsed | STAR | dihedral angle | 3 |
data_1j5n_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1j5n _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_1j5n 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1j5n _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1j5n "Master copy" parsed_1j5n stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1j5n _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 1j5n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 2 distance NOE ambi 2854 parsed_1j5n 1 1 1j5n.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 76 parsed_1j5n 1 1 1j5n.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 6 distance "hydrogen bond" simple 102 parsed_1j5n 1 1 1j5n.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1j5n 1 1 1j5n.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 12 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . XPLOR/CNS 13 planarity "Not applicable" "Not applicable" 0 parsed_1j5n 1 1 1j5n.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j5n 1 stop_ save_ save_CNS/XPLOR_dihedral_8 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_1j5n _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 8 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . $n . P . $n . O5' . $n . C5' . $n . C4' parsed_1j5n 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 20.0 100.0 . . $n . O5' . $n . C5' . $n . C4' . $n . C3' parsed_1j5n 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 360.0 . . $n . C4' . $n . C3' . $n . O3' . $n1 . P parsed_1j5n 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 "below: weight target range exponent" 4 29 4 29 parsed_1j5n 1 2 gamma 7 1 7 1 parsed_1j5n 1 3 epsilon 15 1 15 1 parsed_1j5n 1 4 ; use wider range to be sure no artificial bias (resid $n1 and name P ) 40.0 225.0 75.0 2 !testing this --structures look similar (narrower range possible according to Saenger) ; 21 61 23 107 parsed_1j5n 1 stop_ save_
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